(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide

C16H20N2O2 — CID 136580381

IUPAC(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
SMILESCCN(C(=O)[C@@H]1Cc2ccccc2N1C(C)=O)C1CC1
InChIInChI=1S/C16H20N2O2/c1-3-17(13-8-9-13)16(20)15-10-12-6-4-5-7-14(12)18(15)11(2)19/h4-7,13,15H,3,8-10H2,1-2H3/t15-/m0/s1
InChIKeyKQFOWLKTJANYQV-HNNXBMFYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds3

About (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide (PubChem CID 136580381) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
PubChem CID136580381
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
SMILESCCN(C(=O)[C@@H]1Cc2ccccc2N1C(C)=O)C1CC1
InChIInChI=1S/C16H20N2O2/c1-3-17(13-8-9-13)16(20)15-10-12-6-4-5-7-14(12)18(15)11(2)19/h4-7,13,15H,3,8-10H2,1-2H3/t15-/m0/s1
InChIKeyKQFOWLKTJANYQV-HNNXBMFYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 110003645
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
1-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20876883
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325722
1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 136580393

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide (CID 136580381) is (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide is CCN(C(=O)[C@@H]1Cc2ccccc2N1C(C)=O)C1CC1.
What is the InChIKey of (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is KQFOWLKTJANYQV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-17(13-8-9-13)16(20)15-10-12-6-4-5-7-14(12)18(15)11(2)19/h4-7,13,15H,3,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 136580381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).